(4S)-4-hydroxy-2-methylcyclopent-2-en-1-one

C6H8O2 — CID 11007846

IUPAC(4S)-4-hydroxy-2-methylcyclopent-2-en-1-one
SMILESCC1=C[C@@H](O)CC1=O
InChIInChI=1S/C6H8O2/c1-4-2-5(7)3-6(4)8/h2,5,7H,3H2,1H3/t5-/m1/s1
InChIKeyQSAULTQZSJKLPS-RXMQYKEDSA-N
MW112.13 g/mol
LogP0.27
Rot. Bonds

About (4S)-4-hydroxy-2-methylcyclopent-2-en-1-one

(4S)-4-hydroxy-2-methylcyclopent-2-en-1-one (PubChem CID 11007846) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (4S)-4-hydroxy-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-2-methylcyclopent-2-en-1-one
PubChem CID11007846
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(4S)-4-hydroxy-2-methylcyclopent-2-en-1-one
SMILESCC1=C[C@@H](O)CC1=O
InChIInChI=1S/C6H8O2/c1-4-2-5(7)3-6(4)8/h2,5,7H,3H2,1H3/t5-/m1/s1
InChIKeyQSAULTQZSJKLPS-RXMQYKEDSA-N
XLogP0.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-
CID 11083
2-(Hydroxymethyl)cyclopent-2-en-1-one
CID 328561
Cinerolon
CID 5374041
4-Hydroxycyclopent-2-en-1-one
CID 4169160
2-(Hydroxymethyl)cyclohex-2-en-1-one
CID 11029845
(4S)-4-Hydroxy-3-methyl-2-(2Z)-2,4-pentadien-1-yl-2-cyclopenten-1-one
CID 11789781
(Z,S)-jasmololone
CID 12304693
Jasmolone
CID 5374699
(4R,5R,6R)-4,5-dihydroxy-6-(6'-methylsalicyloxy)-2-methyl-2-cyclohexen-1-one
CID 118714759
(Z,S)-cinerolone
CID 13074022
Litseaverticillol A
CID 6473812
Litseaverticillol B
CID 6478025

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-2-methylcyclopent-2-en-1-one?
The IUPAC name of (4S)-4-hydroxy-2-methylcyclopent-2-en-1-one (CID 11007846) is (4S)-4-hydroxy-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-hydroxy-2-methylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-hydroxy-2-methylcyclopent-2-en-1-one is CC1=C[C@@H](O)CC1=O.
What is the InChIKey of (4S)-4-hydroxy-2-methylcyclopent-2-en-1-one?
The InChIKey is QSAULTQZSJKLPS-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8O2/c1-4-2-5(7)3-6(4)8/h2,5,7H,3H2,1H3/t5-/m1/s1.
What are the key properties of (4S)-4-hydroxy-2-methylcyclopent-2-en-1-one?
(4S)-4-hydroxy-2-methylcyclopent-2-en-1-one has a molecular weight of 112.13 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 11007846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).